CID 9636062

4-(2-(((3-methylbenzoyl)amino)acetyl)carbohydrazonoyl)phenyl 2-bromobenzoate

Structural Information

Molecular Formula
C24H20BrN3O4
SMILES
CC1=CC(=CC=C1)C(=O)NCC(=O)N/N=C/C2=CC=C(C=C2)OC(=O)C3=CC=CC=C3Br
InChI
InChI=1S/C24H20BrN3O4/c1-16-5-4-6-18(13-16)23(30)26-15-22(29)28-27-14-17-9-11-19(12-10-17)32-24(31)20-7-2-3-8-21(20)25/h2-14H,15H2,1H3,(H,26,30)(H,28,29)/b27-14+
InChIKey
RAUHWVJNBQDSJB-MZJWZYIUSA-N
Compound name
[4-[(E)-[[2-[(3-methylbenzoyl)amino]acetyl]hydrazinylidene]methyl]phenyl] 2-bromobenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

493.06372 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 494.07100 207.6
[M+Na]+ 516.05294 213.0
[M-H]- 492.05644 219.4
[M+NH4]+ 511.09754 217.0
[M+K]+ 532.02688 201.4
[M+H-H2O]+ 476.06098 201.7
[M+HCOO]- 538.06192 229.4
[M+CH3COO]- 552.07757 240.5
[M+Na-2H]- 514.03839 209.6
[M]+ 493.06317 226.7
[M]- 493.06427 226.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.